N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine

C23H20FN3 — CID 1288098

IUPACN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)cc1
InChIInChI=1S/C23H20FN3/c24-21-13-11-19(12-14-21)23-20(16-25-15-18-7-3-1-4-8-18)17-27(26-23)22-9-5-2-6-10-22/h1-14,17,25H,15-16H2
InChIKeyRRZJGAZTGINHFZ-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.97
Rot. Bonds6

About N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine

N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine (PubChem CID 1288098) has the molecular formula C23H20FN3 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine
PubChem CID1288098
Molecular FormulaC23H20FN3
Molecular Weight357.43 g/mol
Exact Mass357.16
IUPAC NameN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)cc1
InChIInChI=1S/C23H20FN3/c24-21-13-11-19(12-14-21)23-20(16-25-15-18-7-3-1-4-8-18)17-27(26-23)22-9-5-2-6-10-22/h1-14,17,25H,15-16H2
InChIKeyRRZJGAZTGINHFZ-UHFFFAOYSA-N
XLogP4.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine (CID 1288098) is N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine is Fc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine?
The InChIKey is RRZJGAZTGINHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3/c24-21-13-11-19(12-14-21)23-20(16-25-15-18-7-3-1-4-8-18)17-27(26-23)22-9-5-2-6-10-22/h1-14,17,25H,15-16H2.
What are the key properties of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine?
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine has a molecular weight of 357.43 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 1288098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).